Monomers

Phosphonic acid, (1-bromoethenyl)-, diethyl ester

Identifiers

IUPAC name
1-bromo-1-diethoxyphosphorylethene
InchI
InChI=1S/C6H12BrO3P/c1-4-9-11(8,6(3)7)10-5-2/h3-5H2,1-2H3
InchI Key
SQMBBBWHQORDNI-UHFFFAOYSA-N
SMILES
CCOP(=O)(C(=C)Br)OCC
Canonical SMILES
CCOP(=O)(C(=C)Br)OCC
Isomeric SMILES
CCOP(=O)(C(=C)Br)OCC
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H12BrO3P
Heavy Atom Count
11
Molecular Weight
243.037
Exact Molecular Weight
241.9707
Valence Electrons
66
Radical Electrons
0
tPSA
35.53
MolLogP
3.1186
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.1165    1.0460    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0342    0.1521    0.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9044    0.2360   -0.1858 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3594   -0.7150    0.3154 P   0  0  0  0  0  5  0  0  0  0  0  0
    0.4765   -0.7271    1.8337 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2452   -2.4010   -0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7465   -2.8290   -1.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6582   -3.5913    0.2323 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.7968   -0.0695   -0.3113 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9508    1.2330    0.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2465    1.7773   -0.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0829    0.5710    0.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9946    1.1864   -1.0237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1143    2.0325    0.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8468    0.3788    1.6680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3952   -0.8957    0.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5285   -2.1478   -1.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516   -3.8518   -1.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0719    1.8037   -0.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0141    1.2339    1.2893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3743    2.8429   -0.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0717    1.1916    0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2502    1.5430   -1.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  6  8  1  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  7 17  1  0
  7 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers